[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate

C18H17N3O4 — CID 8825162

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2c(C)nc3ccccc3c2C)no1
InChIInChI=1S/C18H17N3O4/c1-10-8-15(21-25-10)20-16(22)9-24-18(23)17-11(2)13-6-4-5-7-14(13)19-12(17)3/h4-8H,9H2,1-3H3,(H,20,21,22)
InChIKeyCKFGVAGAISTBHA-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.94
Rot. Bonds4

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate (PubChem CID 8825162) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
PubChem CID8825162
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2c(C)nc3ccccc3c2C)no1
InChIInChI=1S/C18H17N3O4/c1-10-8-15(21-25-10)20-16(22)9-24-18(23)17-11(2)13-6-4-5-7-14(13)19-12(17)3/h4-8H,9H2,1-3H3,(H,20,21,22)
InChIKeyCKFGVAGAISTBHA-UHFFFAOYSA-N
XLogP2.94
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate with MolForge

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Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825008
[2-(3,4-difluoroanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825006
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825120
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825327
[2-oxo-2-(3-phenylpropylamino)ethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825051
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2500864
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 24572233
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625138
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825438
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-iodobenzoate
CID 5149355
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816511
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825196

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate (CID 8825162) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate is Cc1cc(NC(=O)COC(=O)c2c(C)nc3ccccc3c2C)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The InChIKey is CKFGVAGAISTBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-10-8-15(21-25-10)20-16(22)9-24-18(23)17-11(2)13-6-4-5-7-14(13)19-12(17)3/h4-8H,9H2,1-3H3,(H,20,21,22).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 8825162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).